SCHEMBL26157118

SCHEMBL26157118

CCCCN1CC=C(c2cnc(N3CCC(C)CC3)nc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SIGMAR1 Q99720 6/20 0.39
▸ PARP1 P09874 2/20 0.39
▸ MET P08581 2/20 0.38
▸ HTR6 P50406 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GPR119 Q8TDV5 3/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26157119 0.80 SIGMAR1 (0.48) SIGMAR1PARP1HTR6ALDH1A1TSHR
SCHEMBL26157116 0.75 DRD2 (0.42) LMNATP53MAPTSIGMAR1ALDH1A1
SCHEMBL26157092 0.73 ALDH1A1 (0.37) LMNATP53MAPTALDH1A1TSHR
SCHEMBL14601668 0.71 SIGMAR1 (0.60) SIGMAR1
SCHEMBL8575395 0.69 SIGMAR1 (0.62) SIGMAR1PARP1DRD2
SCHEMBL11938943 0.69 SIGMAR1 (0.65) SIGMAR1HTR6DRD2
SCHEMBL26157227 0.68 ALDH1A1 (0.33) MAPTALDH1A1TSHRL3MBTL1GPR119
SCHEMBL256663 0.67 SIGMAR1 (0.63) SIGMAR1PARP1
SCHEMBL12523970 0.67 GPR119 (0.50) LMNATP53MAPTALDH1A1TSHR
SCHEMBL26157121 0.67 DRD2 (0.51) LMNAMAPTSIGMAR1ALDH1A1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023093728-A1 BRM SELECTIVE DEGRADATION AGENT COMPOUND AND USE THEREOF 江苏先声药业有限公司 2023-06-01 — — WO disclosed
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